SCHEMBL6070259

SCHEMBL6070259

COc1ccccc1N1CCN(C[C@H](N)Cc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51
RECQL P46063 1/20 0.51
HTR1A P08908 3/20 0.51
MAPK1 P28482 1/20 0.50
IGF1R P08069 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
DRD3 P35462 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6070108 1.00 DRD2 (0.51) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL7793671 0.90 ADRA1D (0.62) DRD2ADRA1AADRA1DADRA1BRECQL
Hydrochloric Acid SCHEMBL7029018 0.89 ADRA1D (0.61) DRD2ADRA1AADRA1DADRA1BRECQL
Hydrochloric Acid SCHEMBL7029024 0.89 ADRA1D (0.61) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL6069916 0.88 DRD2 (0.55) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL6070129 0.88 DRD2 (0.55) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL7536579 0.87 HTR1A (0.56) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL6070007 0.83 MAPT (0.51) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL6069904 0.83 MAPT (0.51) DRD2ADRA1AADRA1DADRA1BRECQL
SCHEMBL6181848 0.80 MEN1 (0.55) DRD2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067518-B2 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH (US) 2006-06-27 US disclosed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents HTR1A, HTR5A, HTR2C DRD2 35/4885ADRA1A 47/4885ADRA1D 44/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.